Structure of PDB 4s3f Chain A

Receptor sequence
>4s3fA (length=401) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence]
MRRPTPTVYVGRVPIGGAHPIAVQSMTNTPTRDVEATTAQVLELHRAGSE
IVRLTVNDEEAAKAVPEIKRRLLAEGAEVPLVGDFHFNGHLLLRKYPKMA
EALDKFRINPGTLGRGRHKDEHFAEMIRIAMDLGKPVRIGANWGSLDPAL
LTELMDRNARRPEPKSAHEVVLEALVESAVRAYEAALEMGLGEDKLVLSA
KVSKARDLVWVYRELARRTQAPLHLGLTEAGMGVKGIVASAAALAPLLLE
GIGDTIRVSLTPAPGEPRTKEVEVAQEILQALGLRAFAPEVTSCPGCGRT
TSTFFQELAEEVSRRLKERLPEWRARYPGVEELKVAVMGCVVNGPGESKH
AHIGISLPGAGEEPKAPVYADGKLLTILKGEGIAEEFLRLVEDYVKTRFA
P
3D structure
PDB4s3f Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
ChainA
Resolution1.7 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 1.17.7.3: (E)-4-hydroxy-3-methylbut-2-enyl-diphosphate synthase (flavodoxin).
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 43W A M29 R56 D87 R110 R141 N145 K204 T231 R260 S262 M26 R53 D84 R107 R138 N142 K201 T228 R257 S259 MOAD: ic50=580nM
PDBbind-CN: -logKd/Ki=6.24,IC50=580nM
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046429 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase activity (ferredoxin)
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0141197 4-hydroxy-3-methylbut-2-enyl-diphosphate synthase activity (flavodoxin)
Biological Process
GO:0008299 isoprenoid biosynthetic process
GO:0016114 terpenoid biosynthetic process
GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
GO:0044237 cellular metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4s3f, PDBe:4s3f, PDBj:4s3f
PDBsum4s3f
PubMed25868383
UniProtQ5SLI8|ISPG_THET8 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin) (Gene Name=ispG)

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